4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

C17H21N3O2S — CID 38541023

IUPAC4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2N2CCOCC2)sc1C
InChIInChI=1S/C17H21N3O2S/c1-12-10-15(23-13(12)2)17(21)19-11-14-4-3-5-18-16(14)20-6-8-22-9-7-20/h3-5,10H,6-9,11H2,1-2H3,(H,19,21)
InChIKeyWEJIKANNUNUSAX-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.53
Rot. Bonds4

About 4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 38541023) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID38541023
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2N2CCOCC2)sc1C
InChIInChI=1S/C17H21N3O2S/c1-12-10-15(23-13(12)2)17(21)19-11-14-4-3-5-18-16(14)20-6-8-22-9-7-20/h3-5,10H,6-9,11H2,1-2H3,(H,19,21)
InChIKeyWEJIKANNUNUSAX-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 38541023) is 4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is Cc1cc(C(=O)NCc2cccnc2N2CCOCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is WEJIKANNUNUSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-10-15(23-13(12)2)17(21)19-11-14-4-3-5-18-16(14)20-6-8-22-9-7-20/h3-5,10H,6-9,11H2,1-2H3,(H,19,21).
What are the key properties of 4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 38541023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).